SCHEMBL3775421

SCHEMBL3775421

O=C(NC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 14/20 0.45
▸ GRM5 P41594 3/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCNT1 O60563 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3775420 1.00 TYK2 (0.45) TYK2GRM5PDE4DL3MBTL1CCNE1
SCHEMBL3780565 0.92 TYK2 (0.47) TYK2PDE4D
SCHEMBL3780562 0.92 TYK2 (0.47) TYK2PDE4D
SCHEMBL3773615 0.91 TYK2 (0.50) TYK2PDE4D
SCHEMBL3773613 0.91 TYK2 (0.50) TYK2PDE4D
SCHEMBL3780097 0.91 TYK2 (0.48) TYK2PDE4DL3MBTL1CCNT1
SCHEMBL3780095 0.91 TYK2 (0.48) TYK2PDE4DL3MBTL1CCNT1
SCHEMBL3777327 0.90 TYK2 (0.46) TYK2PDE4D
SCHEMBL3777324 0.90 TYK2 (0.46) TYK2PDE4D
SCHEMBL3780581 0.87 TYK2 (0.52) TYK2PDE4D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 — — EP claimed
US-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 — — US claimed
EP-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 — — EP disclosed
US-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 — — US disclosed
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-23 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS MAP3K5, MAP4K2, MAP3K15 TYK2 289/4885GRM5 2875/4885PDE4D 1378/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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